4-Methyl-1-naphthoic acid - CAS 4488-40-8
Catalog: |
BB025723 |
Product Name: |
4-Methyl-1-naphthoic acid |
CAS: |
4488-40-8 |
Synonyms: |
4-methylnaphthalene-1-carboxylic acid |
IUPAC Name: | 4-methylnaphthalene-1-carboxylic acid |
Description: | Naphthalenecarboxylic acid derivatives known for their antidote activity against urea and other herbicides. |
Molecular Weight: | 186.21 |
Molecular Formula: | C12H10O2 |
Canonical SMILES: | CC1=CC=C(C2=CC=CC=C12)C(=O)O |
InChI: | InChI=1S/C12H10O2/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7H,1H3,(H,13,14) |
InChI Key: | SIVYRLBDAPKADZ-UHFFFAOYSA-N |
Boiling Point: | 387.4 °C at 760 mmHg |
Melting Point: | 179-181 °C (lit.) |
Purity: | 95 % |
Density: | 1.222 g/cm3 |
Appearance: | Off-white solid |
Storage: | Refrigerator |
MDL: | MFCD00671557 |
LogP: | 2.84640 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113429398-A | Acetophenone oxime ester imidazole derivatives and preparation method and application thereof | 20210707 |
CN-113336640-A | Method for reducing content of 1, 4-naphthalenedicarboxylic acid impurities | 20210607 |
CN-113461511-A | Preparation method of 1, 4-naphthalenedicarboxylic acid | 20210607 |
CN-112778116-A | Preparation method of 1,4-naphthalenedicarboxylic acid | 20201230 |
CN-112679338-A | Method for preparing oxazoline insecticide alfilana intermediate | 20201228 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.068079557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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